SCHEMBL28579688

SCHEMBL28579688

NCCC(=O)Nc1ccc(Cn2c(C(=O)N[C@H]3CC[C@H](N)CC3)cc3ccc(NC=O)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.48
▸ ST14 Q9Y5Y6 2/20 0.48
▸ F10 P00742 15/20 0.43
▸ SMYD3 Q9H7B4 2/20 0.40
▸ KDM1A O60341 1/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.38
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28579618 0.93 F2 (0.44) F2ST14F10SMYD3
SCHEMBL25017867 0.88 F2 (0.57) F2ST14F10PRSS1PRSS2
SCHEMBL28573730 0.84 F2 (0.50) F2ST14F10SMYD3PRSS1
SCHEMBL28573728 0.84 F2 (0.50) F2ST14F10SMYD3PRSS1
SCHEMBL28572119 0.80 ST14 (0.43) F2ST14F10SMYD3
SCHEMBL25015731 0.80 ST14 (0.52) F2ST14F10SMYD3PRSS1
SCHEMBL25017373 0.78 F10 (0.46) F2ST14F10PRSS1
SCHEMBL25016210 0.78 F2 (0.44) F2ST14F10PRSS1
SCHEMBL25016673 0.78 F2 (0.44) F2ST14F10PRSS1
SCHEMBL28961404 0.77 SMYD3 (0.46) F2F10SMYD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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